6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine

C39H39Cl2N5O5 — CID 158440723

IUPAC6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2c(c1)CCO2.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H19ClN2O2.C10H9ClN2O2.C9H11NO/c1-2-16-20(23-12-15(21)5-8-19(23)22-16)17(24)6-3-13-4-7-18-14(11-13)9-10-25-18;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;10-6-7-1-2-9-8(5-7)3-4-11-9/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3;3-5H,2H2,1H3,(H,14,15);1-2,5H,3-4,6,10H2
InChIKeyHCTYMINAOIMPOE-UHFFFAOYSA-N
MW728.68 g/mol
LogP7.63
Rot. Bonds8

About 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine (PubChem CID 158440723) has the molecular formula C39H39Cl2N5O5 and a molecular weight of 728.68 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine.

Molecular Properties

Compound Name6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine
PubChem CID158440723
Molecular FormulaC39H39Cl2N5O5
Molecular Weight728.68 g/mol
Exact Mass727.23
IUPAC Name6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2c(c1)CCO2.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H19ClN2O2.C10H9ClN2O2.C9H11NO/c1-2-16-20(23-12-15(21)5-8-19(23)22-16)17(24)6-3-13-4-7-18-14(11-13)9-10-25-18;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;10-6-7-1-2-9-8(5-7)3-4-11-9/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3;3-5H,2H2,1H3,(H,14,15);1-2,5H,3-4,6,10H2
InChIKeyHCTYMINAOIMPOE-UHFFFAOYSA-N
XLogP7.63
TPSA133.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.68
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine with MolForge

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Related Compounds

2-[[3-Chloro-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 59335907
Ethyl 3-[chloro-(2-fluoro-4-methoxy-3-phenylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 68797399
Ethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 159613114
Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine
CID 160781217
2-[[4-[3-[(4-Chloro-2-fluorophenoxy)methyl]phenoxy]piperidin-1-yl]methyl]-3-[(3-ethylimidazol-4-yl)methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 170938650
[8-chloro-6-[(2S)-1-[5-[4-[(8-chloroimidazo[1,2-a]pyrazin-3-yl)-hydroxymethyl]-5-fluoro-2-pyridinyl]-3-fluoro-2-methoxyphenyl]propan-2-yl]imidazo[1,2-a]pyrazin-3-yl]-[5-fluoro-2-(3-fluoro-4-methoxyphenyl)-4-pyridinyl]methanone
CID 176553476
6-chloro-N-(2,3-dihydrobenzofuran-5-ylmethyl)-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 126697890
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-[[4-(trifluoromethoxy)phenyl]methyl]decan-1-amine
CID 157310503
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-[(1-methylimidazol-4-yl)methyl]decan-1-amine
CID 158267520
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;N-[(2-methoxyphenyl)methyl]decan-1-amine
CID 159424014
3-Chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;1-methylimidazole
CID 160205634
3-chloro-6-(furan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;2-phenylethanamine;N-(2-phenylethyl)decan-1-amine
CID 161483768

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine?
The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine (CID 158440723) is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine.
What is the SMILES notation for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine?
The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc2c(c1)CCO2.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc2c(c1)CCO2.
What is the InChIKey of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine?
The InChIKey is HCTYMINAOIMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2.C10H9ClN2O2.C9H11NO/c1-2-16-20(23-12-15(21)5-8-19(23)22-16)17(24)6-3-13-4-7-18-14(11-13)9-10-25-18;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;10-6-7-1-2-9-8(5-7)3-4-11-9/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3;3-5H,2H2,1H3,(H,14,15);1-2,5H,3-4,6,10H2.
What are the key properties of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine?
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine has a molecular weight of 728.68 g/mol, XLogP of 7.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one;2,3-dihydro-1-benzofuran-5-ylmethanamine is sourced from PubChem (CID 158440723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).